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147297-04-9 | Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-, ethyl ester
CAS No: 147297-04-9 Catalog No: AG001ERC MDL No:
Product Description
Catalog Number:
AG001ERC
Chemical Name:
Pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-1,2,3,4-tetrahydro-7-methyl-2,4-dioxo-3-phenyl-, ethyl ester
CAS Number:
147297-04-9
Molecular Formula:
C30H32ClN5O4
Molecular Weight:
562.0592
IUPAC Name:
ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C30H32ClN5O4/c1-3-40-29(38)23-20-21(2)32-27-26(23)28(37)36(22-10-5-4-6-11-22)30(39)35(27)15-9-14-33-16-18-34(19-17-33)25-13-8-7-12-24(25)31/h4-8,10-13,20H,3,9,14-19H2,1-2H3
InChI Key:
YVGOKISJIUOQGY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)nc2c1c(=O)n(c(=O)n2CCCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.214g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.067g/mol
Monoisotopic Mass:
561.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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